scripting_documentation/RosettaScripts/xsd/mover_CDRDihedralConstraintMover

Autogenerated Tag Syntax Documentation:

Author: Jared Adolf-Bryfogle (jadolfbr@gmail.com) Adds Circular Harmonic Dihedral Constraints to the Phi and Psi dihedral angles to a particular CDR either using the current computed North/Dunbrack CDR Cluster (requires AHo numbered antibody) or general constraints. These constraints keep the CDR structure from moving too much during backbone optimization such as FastRelax. Please see the constraints page for more information on constraints and this page for more information on antibody numbering.

References and author information for the CDRDihedralConstraintMover mover:

CDRDihedralConstraintMover Mover's citation(s): Adolf-Bryfogle J, Kalyuzhniy O, Kubitz M, Weitzner BD, Hu X, Adachi Y, Schief WR, and Dunbrack Jr RL Jr. (2018). RosettaAntibodyDesign (RAbD): A general framework for computational antibody design. PLoS Comput Biol 14(4):e1006112. doi: 10.1371/journal.pcbi.1006112.

<CDRDihedralConstraintMover name="(&string;)" cdr="(&string;)"
        use_cluster_csts="(&bool;)"
        use_general_constraints_on_failure="(&bool;)"
        force_cluster="(&cluster_definitions;)"
        cluster_data_required="(&non_negative_integer;)" use_outliers="(&bool;)"
        general_phi_sd="(&real;)" general_psi_sd="(&real;)" />

cdr: (REQUIRED) CDR to add the constraints to (ex: H1 or h1)
use_cluster_csts: Add cluster constraints? If false, will use general dihedral constraints
use_general_constraints_on_failure: Add general constraints if cluster-based constraint addition fails?
force_cluster: Force addition of cluster constraints of this particular cluster. Must be same CDR length as the current CDR
cluster_data_required: How many structures per cluster are required to use cluster-based constraints for those structures?
use_outliers: Use a separate set of data for cluster-based constraints which contained outliers for the calculation (dihedral distance greater than 40 degrees, RMSD greater than 1.5A)
general_phi_sd: Standard deviation for general constraints on phi angles
general_psi_sd: Standard deviation for general constraints on psi angles

scripting_documentation/RosettaScripts/xsd/mover_CDRDihedralConstraintMover_type